SCHEMBL4144909

SCHEMBL4144909

CC(=O)N1CCc2c(sc(NC(=O)C(F)(F)F)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
BLM P54132 2/20 0.57
ANO1 Q5XXA6 12/20 0.55
ANO2 Q9NQ90 2/20 0.52
BRD4 O60885 1/20 0.49
EP300 Q09472 1/20 0.49
CREBBP Q92793 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4152843 0.90 MAPT (0.70) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4144840 0.84 ANO1 (0.67) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4141379 0.83 TP53 (0.79) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4153255 0.82 ANO1 (0.80) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4145029 0.82 ANO1 (0.80) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4139722 0.80 ANO1 (0.71) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4140530 0.78 ALDH1A1 (0.56) TP53MAPTSMN1; SMN2ANO1ANO2
SCHEMBL4147506 0.77 MAPT (0.62) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4140427 0.75 CXCR2 (0.59) TP53MAPTSMN1; SMN2BLMANO1
SCHEMBL4151112 0.74 ALDH1A1 (0.57) TP53MAPTSMN1; SMN2BLMRXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL TP53 1/4885MAPT 1629/4885SMN1; SMN2 155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.